4-(5-羟基-2-甲基-1-环戊烯-1-基)苯甲腈 | 628731-99-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(5-羟基-2-甲基-1-环戊烯-1-基)苯甲腈
• 英文名称: 4-(5-Hydroxy-2-methyl-1-cyclopenten-1-yl)benzonitrile
• 英文别名: 4-(5-hydroxy-2-methylcyclopenten-1-yl)benzonitrile
• CAS: 628731-99-7
• 化学式: C₁₃H₁₃NO
• 分子量: 199.252
• InChiKey: UOXGBAJEZMBAND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  44
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(5-羟基-2-甲基-1-环戊烯-1-基)苯甲腈 在 mercury(II) diacetate 作用下， 生成 4-[2-methyl-5-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl-methyl)cyclopent-1-enyl]-benzonitrile
  参考文献：
  名称：

  [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS
  [FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C

  摘要：

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。

  公开号：

  WO2003099795A1
• 作为产物：
  描述：

  2-溴-3-甲基-2-环戊烯-1-酮 在 tris-(dibenzylideneacetone)dipalladium(0) 、 四(三苯基膦)钯 、 三苯基膦 sodium tetrahydroborate 、 cerium(III) chloride 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 反应 15.25h， 生成 4-(5-羟基-2-甲基-1-环戊烯-1-基)苯甲腈
  参考文献：
  名称：

  [EN] 4-SUBSTITUTED IMIDAZOLE-2-THIONES AND IMIDAZOL-2-ONES AS AGONISTS OF THE ALPHA-2B AND ALPHA-2C ADRENERGIC RECEPTORS
  [FR] IMIDAZOLE-2-ONES ET IMIDAZOLE-2-THIONES 4 SUBSTITUES COMME AGONISTES DES ADRENO-RECEPTEURS ALPHA-2B ET ALPHA-2C

  摘要：

  式(I)的化合物：其中X为S，变量的含义如规范中定义的那样，对alpha2B和/或alpha2C肾上腺素受体具有特异性或选择性，优先于alpha2A肾上腺素受体，并且因此具有无或仅有极小的心血管和/或镇静活性。这些式(I)的化合物在哺乳动物，包括人类中，作为药物用于治疗对alpha2B肾上腺素受体激动剂治疗有响应的疾病和/或缓解症状是有用的。式(I)的化合物，其中X为O，还具有有利的特性，即它们具有无或仅有极小的心血管和/或镇静活性，并且适用于治疗无或仅有极小的心血管和/或镇静活性的疼痛和其他症状。

  公开号：

  WO2003099795A1

文献信息

• 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOL-2-ONES AND 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOL-2-ONES AND RELATED COMPOUNDS
  申请人：Chow Ken

  公开号：US20070072926A1

  公开（公告）日：2007-03-29

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  式1中X为S且变量的含义已在说明书中定义，这些化合物具有特异性或选择性作用于α2B和/或α2C肾上腺素受体，而不是α2A肾上腺素受体，因此它们没有或仅有最小的心血管和/或镇静活性。这些式1的化合物可用作哺乳动物，包括人类的药物，用于治疗对α2B肾上腺素受体激动剂有反应的疾病和/或缓解条件。式1中X为O的化合物还具有优越的特性，即它们没有或仅有最小的心血管和/或镇静活性，可用于治疗无或仅有最小心血管和/或镇静活性的疼痛和其他病症。
• 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYCLOALKENYLMETHYL) IMIDAZOLE-2-THIONES, 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-ONES AND, 4-(SUBSTITUTED CYCLOALKYLMETHYL) IMIDAZOLE-2-ONES AND RELATED COMPOUNDS
  申请人：Chow Ken

  公开号：US20080319013A1

  公开（公告）日：2008-12-25

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  化学式为1的化合物中，其中X为S，变量的含义在说明书中定义，具有对alpha2B和/或alpha2C肾上腺素受体的特异性或选择性，而不是alpha2A肾上腺素受体，因此具有无或仅有最少的心血管和/或镇静活性。这些化合物可用作哺乳动物，包括人类，治疗对alpha2B肾上腺素受体激动剂有反应的疾病和/或缓解病情。化学式为1的化合物中，其中X为O也具有优越的特性，即它们没有或仅有最少的心血管和/或镇静活性，可用于治疗无或仅有最少心血管和/或镇静活性的疼痛和其他疾病。
• 4-(2-METHYL-5,6,7,8-TETRAHYDRO-QUINOLIN-7-YLMETHYL)-1,3-DIHYDRO-IMIDAZOLE-2-THIONE AS SPECIFIC ALPHA2B AGONIST AND METHODS OF USING THE SAME
  申请人：Heidelbaugh M. Todd

  公开号：US20080070945A1

  公开（公告）日：2008-03-20

  The compound of the formula wherein the * indicates an asymmetric carbon, is specific to alpha 2B adrenergic receptors in preference over alpha 2A and alpha 2C adrenergic receptors, and as such has no or only minimal cardivascular and/or sedatory activity. The compound is useful as medicament in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors.

  该化学式中的 * 表示对称碳原子，其化合物对α2B肾上腺素受体具有特异性，优先于α2A和α2C肾上腺素受体，因此具有极小的心血管和/或镇静作用或没有作用。该化合物可用作哺乳动物，包括人类，治疗对α2B肾上腺素受体激动剂敏感的疾病和/或缓解条件的药物。
• 4-(substituted cycloalkylmethyl) Imidazole-2-Thiones, 4-(substituted cycloalkenylmethyl) Imidazole-2-Thiones, 4-(substituted cycloalkylmethyl) Imidazol-2-Ones and 4-(substituted cycloalkenylmethyl) Imidazole-2-Ones and related compounds
  申请人：Chow Ken

  公开号：US20080221186A1

  公开（公告）日：2008-09-11

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardiovascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardiovascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardiovascular and/or sedatory activity.

  化学式为1的化合物，其中X为S且变量的含义在说明书中定义，具有选择性作用于alpha2B和/或alpha2C肾上腺素受体，优先于alpha2A肾上腺素受体，因此几乎没有心血管和/或镇静作用。这些化合物可用作哺乳动物，包括人类，治疗对alpha2B肾上腺素受体激动剂有反应的疾病和/或缓解条件的药物。化学式为1且X为O的化合物还具有无或仅极小心血管和/或镇静活性的优点，可用于治疗疼痛和其他无或仅极小心血管和/或镇静活性的疾病。
• IMIDAZOLE-2-THIONES
  申请人：Chow Ken

  公开号：US20080091028A1

  公开（公告）日：2008-04-17

  Compounds of Formula 1 where X is S and the variables have the meaning defined in the specification are specific or selective to alpha 2B and/or alpha 2C adrenergic receptors in preference over alpha 2A adrenergic receptors, and as such have no or only minimal cardivascular and/or sedatory activity. These compounds of Formula 1 are useful as medicaments in mammals, including humans, for treatment of diseases and or alleviations of conditions which are responsive to treatment by agonists of alpha 2B adrenergic receptors. Compounds of Formula 1 where X is O also have the advantageous property that they have no or only minimal cardivascular and/or sedatory activity and are useful for treating pain and other conditions with no or only minimal cardivascular and/or sedatory activity.

  化合物1的公式中，其中X为S且变量的含义在规范中定义，具有特异性或选择性作用于α2B和/或α2C肾上腺素受体，而不是α2A肾上腺素受体，因此具有无或仅极小的心血管和/或镇静作用。这些化合物的1的公式在哺乳动物中，包括人类，用于治疗对α2B肾上腺素受体激动剂敏感的疾病和/或缓解条件，具有用途。其中X为O的化合物1的公式也具有优越的特性，即它们无或仅极小的心血管和/或镇静作用，并可用于治疗无或仅极小的心血管和/或镇静作用的疼痛和其他病症。